6-Hydroxymethylindole

HCID 2773459CAS 1075-26-9

Substructure search Find similar structures

Basic information

Standard SMILES: OCc1ccc2cc[nH]c2c1
InChIKey: WRMZOPANDOHWJU-UHFFFAOYSA-N
Molecular formula: C9H9NO
Average molar mass: 147.17 g/mol
Monoisotopic mass: 147.06841391

Names & identifiers

Preferred name: 6-Hydroxymethylindole
IUPAC: 1H-indol-6-ylmethanol
English name: 6-Hydroxymethylindole
Molecular formula: C9H9NO
Molecular weight: 147.17

Names & synonyms

1075-26-96-HydroxymethylindoleDTXSID00378473RefChem:543435DTXCID40329500(1H-indol-6-yl)methanol1H-indol-6-ylmethanolIndole-6-methanol1H-INDOLE-6-METHANOLMFCD02179595indol-6-ylmethan-1-ol6-(HYDROXYMETHYL)-1H-INDOLE

Show more names

6-IndolMethanolRARECHEM AL BD 12651H-indol-6-ylmethanol - [H2307]1H-Indole-6-methanol (9CI, ACI)1H-indol-6-ylmethanol(SALTDATA: FREE)

(6-Indolyl)methanolIndol-6-yl-methanol6-Hydroxymethyl indole6-(hydroxymethyl)Indole(1H-Indol-6-yl)-methanol(1H-indole-6-yl)-methanolSCHEMBL1252105SCHEMBL6346133

Database identifiers

CAS: 1075-26-9
PubChem CID: 2773459
DTXSID: DTXSID00378473
EC Number: 106-721-8

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Melting point: 45 · 45-50°C
Boiling point: 360.6 · 360.6±17.0 °C(Predicted)
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.56 · 14.56±0.10(Predicted)
form: solid
color: Beige
CAS DataBase Reference: 1075 · 1075-26-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 24 · 24/25-39-26
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933998090
risk_code: 37/38-41
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-39-26
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

Uses6-Hydroxymethylindole is an indole compound that is used as a pharmaceutical intermediate, for example, in the preparation of Acc inhibitors or viral replication inhibitors.